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> Main
CHEBI:9703 - tridihexethyl chloride
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ChEBI Name
tridihexethyl chloride
ChEBI ID
CHEBI:9703
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H36NO.Cl
Net Charge
0
Average Mass
353.96938
Monoisotopic Mass
353.24854
InChI
InChI=1S/C21H36NO.ClH/c1-
4-
22(5-
2,6-
3)
18-
17-
21(23,19-
13-
9-
7-
10-
14-
19)
20-
15-
11-
8-
12-
16-
20;/h7,9-
10,13-
14,20,23H,4-
6,8,11-
12,15-
18H2,1-
3H3;1H/q+1;/p-
1
InChIKey
XJGONMZLEDGBRM-UHFFFAOYSA-M
SMILES
[Cl-].CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1
ChEBI Ontology
Outgoing
tridihexethyl chloride (
CHEBI:9703
)
has part
tridihexethyl (
CHEBI:9701
)
tridihexethyl chloride (
CHEBI:9703
)
is a
organic chloride salt (
CHEBI:36094
)
IUPAC Name
3-cyclohexyl-
N
,
N
,
N
-triethyl-3-hydroxy-3-phenylpropan-1-aminium chloride
Synonym
Source
(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium chloride
ChemIDplus
Manual Xrefs
Databases
D00723
KEGG DRUG
DB00505
DrugBank
View more database links
Registry Numbers
Types
Sources
4067320
Beilstein Registry Number
Beilstein
4310-35-4
CAS Registry Number
ChemIDplus
Last Modified
02 December 2008